methyl 1-[2-(4,5-dimethoxy-2-nitro-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(4,5-dimethoxy-2-nitro-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4,5-dimethoxy-2-nitro-benzoyl)oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4,5-dimethoxy-2-nitrophenyl)-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4,5-dimethoxy-2-nitrobenzoyl)oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4,5-dimethoxy-2-nitro-benzoyl)oxyacetyl]isonipecotic acid methyl ester Formula: C18H22N2O9 MolecularWeight: 410.37528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCC(CC2)C(=O)OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCC(CC2)C(=O)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C18H22N2O9/c1-26-14-8-12(13(20(24)25)9-15(14)27-2)18(23)29-10-16(21)19-6-4-11(5-7-19)17(22)28-3/h8-9,11H,4-7,10H2,1-3H3